tert-butyl 2-[[3-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonylsulfanyl-2-methyl-propanoyl]-cyclopentyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[3-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonylsulfanyl-2-methyl-propanoyl]-cyclopentyl-amino]ethanoate Openeye Name: tert-butyl 2-[[3-[4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoyl]sulfanyl-2-methyl-propanoyl]-cyclopentyl-amino]acetate CAS Name: 2-[[3-[[[4-chloro-2-(2-furanylmethylamino)-5-sulfamoylphenyl]-oxomethyl]thio]-2-methyl-1-oxopropyl]-cyclopentylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]sulfanyl-2-methylpropanoyl]-cyclopentylamino]acetate Traditional Name: 2-[[3-[[4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoyl]thio]-2-methyl-propanoyl]-cyclopentyl-amino]acetic acid tert-butyl ester Formula: C27H36ClN3O7S2 MolecularWeight: 614.17364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N)C(=O)N(CC(=O)OC(C)(C)C)C3CCCC3

Isomeric SMILES

CC(CSC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N)C(=O)N(CC(=O)OC(C)(C)C)C3CCCC3

InChI

InChI=1S/C27H36ClN3O7S2/c1-17(25(33)31(18-8-5-6-9-18)15-24(32)38-27(2,3)4)16-39-26(34)20-12-23(40(29,35)36)21(28)13-22(20)30-14-19-10-7-11-37-19/h7,10-13,17-18,30H,5-6,8-9,14-16H2,1-4H3,(H2,29,35,36)